ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl palmitate | C39H74NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl palmitate

  • Molecular FormulaC39H74NO9P
  • Average mass731.980 Da
  • Monoisotopic mass731.510132 Da
  • ChemSpider ID117217356

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propyl palmitate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]propylpalmitat [German] [ACD/IUPAC Name]
2-Oxiraneoctanoic acid, 3-[(2Z)-2-octen-1-yl]-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Palmitate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(8-{3-[(2Z)-2-octén-1-yl]-2-oxiranyl}octanoyl)oxy]propyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 756.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 411.6±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 201.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 12.45
ACD/LogD (pH 5.5): 8.43
ACD/BCF (pH 5.5): 374196.00
ACD/KOC (pH 5.5): 66052.18
ACD/LogD (pH 7.4): 8.33
ACD/BCF (pH 7.4): 301465.13
ACD/KOC (pH 7.4): 53213.90
Polar Surface Area: 157 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 703.2±3.0 cm3

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